methanesulfonic acid 3-[4-(2-benzyloxy-4-ethylphenoxy)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl ester | 1403681-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methanesulfonic acid 3-[4-(2-benzyloxy-4-ethylphenoxy)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl ester
• 英文别名: [3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
• CAS: 1403681-99-1
• 化学式: C₂₆H₂₆FNO₇S
• 分子量: 515.559
• InChiKey: XRNKIRCSBSYUGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  99.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 3-[4-(2-benzyloxy-4-ethylphenoxy)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl ester 在 sodium azide 、 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-aminomethyl-3-[4-(2-benzyloxy-4-ethylphenoxy)-3-fluorophenyl]-oxazolidin-2-one
  参考文献：
  名称：

  From Triclosan toward the Clinic: Discovery of Nonbiocidal, Potent FabI Inhibitors for the Treatment of Resistant Bacteria

  摘要：

  In this paper, we present some elements of our optimization program to decouple triclosan's specific FabI effect from. its nonspecific cytotoxic component. The implementation of this strategy delivered highly specific, potent, and nonbiocidal new FabI inhibitors. We also disclose some preclinical data of one of their representatives, 83, a novel antibacterial compound active against resistant staphylococci and some clinically, relevant Gram negative bacteria that is currently undergoing clinical trails.

  DOI：

  10.1021/jm301113w
• 作为产物：
  描述：

  4-乙基-2-甲氧基苯酚 在 盐酸 、 正丁基锂 、 三溴化硼 、 碳酸氢钠 、 potassium carbonate 、 magnesium 、 三乙胺 、 sodium iodide 、 tin(ll) chloride 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 丙酮 、 乙腈 为溶剂， 反应 43.17h， 生成 methanesulfonic acid 3-[4-(2-benzyloxy-4-ethylphenoxy)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl ester
  参考文献：
  名称：

  From Triclosan toward the Clinic: Discovery of Nonbiocidal, Potent FabI Inhibitors for the Treatment of Resistant Bacteria

  摘要：

  In this paper, we present some elements of our optimization program to decouple triclosan's specific FabI effect from. its nonspecific cytotoxic component. The implementation of this strategy delivered highly specific, potent, and nonbiocidal new FabI inhibitors. We also disclose some preclinical data of one of their representatives, 83, a novel antibacterial compound active against resistant staphylococci and some clinically, relevant Gram negative bacteria that is currently undergoing clinical trails.

  DOI：

  10.1021/jm301113w

文献信息

• Hydroxyphenyl Derivatives and Biological Applications Thereof
  申请人：Denis Alexis

  公开号：US20100041658A1

  公开（公告）日：2010-02-18

  The invention relates to hydroxyphenyl derivatives of formula (I); and uses thereof as anti-bacterial and/or anti-parasitic agents.

  本发明涉及公式（I）的羟基苯基衍生物；以及其作为抗菌和/或抗寄生虫剂的用途。
• Hydroxyphenyl derivatives and biological applications thereof
  申请人：Denis Alexis

  公开号：US08722746B2

  公开（公告）日：2014-05-13

  The invention relates to hydroxyphenyl derivatives of formula (I); and uses thereof as anti-bacterial and/or anti-parasitic agents.

  本发明涉及公式（I）的羟基苯基衍生物；以及将其用作抗菌和/或抗寄生虫剂的用途。
• HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF
  申请人：FAB PHARMA S.A.S.

  公开号：US20140213589A1

  公开（公告）日：2014-07-31

  The invention relates to hydroxyphenyl derivatives of formula (I); and uses thereof as anti-bacterial and/or anti-parasitic agents.

  本发明涉及公式（I）的羟基苯基衍生物；以及它们作为抗菌和/或抗寄生虫剂的用途。
• NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF
  申请人：Mutabilis SA

  公开号：EP2010495A2

  公开（公告）日：2009-01-07
• US8722746B2
  申请人：——

  公开号：US8722746B2

  公开（公告）日：2014-05-13